3-ethenyl-5-methyl-2-(2-methylpropanoyl)-N-(2-piperidin-1-ylethyl)cyclopentane-1-carboxamide

C20H34N2O2 — CID 167106126

IUPAC3-ethenyl-5-methyl-2-(2-methylpropanoyl)-N-(2-piperidin-1-ylethyl)cyclopentane-1-carboxamide
SMILESC=CC1CC(C)C(C(=O)NCCN2CCCCC2)C1C(=O)C(C)C
InChIInChI=1S/C20H34N2O2/c1-5-16-13-15(4)17(18(16)19(23)14(2)3)20(24)21-9-12-22-10-7-6-8-11-22/h5,14-18H,1,6-13H2,2-4H3,(H,21,24)
InChIKeyGQGBLLBLZDGHGT-UHFFFAOYSA-N
MW334.50 g/mol
LogP2.89
Rot. Bonds7

About 3-ethenyl-5-methyl-2-(2-methylpropanoyl)-N-(2-piperidin-1-ylethyl)cyclopentane-1-carboxamide

3-ethenyl-5-methyl-2-(2-methylpropanoyl)-N-(2-piperidin-1-ylethyl)cyclopentane-1-carboxamide (PubChem CID 167106126) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is 3-ethenyl-5-methyl-2-(2-methylpropanoyl)-N-(2-piperidin-1-ylethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-ethenyl-5-methyl-2-(2-methylpropanoyl)-N-(2-piperidin-1-ylethyl)cyclopentane-1-carboxamide
PubChem CID167106126
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Name3-ethenyl-5-methyl-2-(2-methylpropanoyl)-N-(2-piperidin-1-ylethyl)cyclopentane-1-carboxamide
SMILESC=CC1CC(C)C(C(=O)NCCN2CCCCC2)C1C(=O)C(C)C
InChIInChI=1S/C20H34N2O2/c1-5-16-13-15(4)17(18(16)19(23)14(2)3)20(24)21-9-12-22-10-7-6-8-11-22/h5,14-18H,1,6-13H2,2-4H3,(H,21,24)
InChIKeyGQGBLLBLZDGHGT-UHFFFAOYSA-N
XLogP2.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-5-methyl-2-(2-methylpropanoyl)-N-(2-piperidin-1-ylethyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-ethenyl-5-methyl-2-(2-methylpropanoyl)-N-(2-piperidin-1-ylethyl)cyclopentane-1-carboxamide (CID 167106126) is 3-ethenyl-5-methyl-2-(2-methylpropanoyl)-N-(2-piperidin-1-ylethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-ethenyl-5-methyl-2-(2-methylpropanoyl)-N-(2-piperidin-1-ylethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-ethenyl-5-methyl-2-(2-methylpropanoyl)-N-(2-piperidin-1-ylethyl)cyclopentane-1-carboxamide is C=CC1CC(C)C(C(=O)NCCN2CCCCC2)C1C(=O)C(C)C.
What is the InChIKey of 3-ethenyl-5-methyl-2-(2-methylpropanoyl)-N-(2-piperidin-1-ylethyl)cyclopentane-1-carboxamide?
The InChIKey is GQGBLLBLZDGHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2/c1-5-16-13-15(4)17(18(16)19(23)14(2)3)20(24)21-9-12-22-10-7-6-8-11-22/h5,14-18H,1,6-13H2,2-4H3,(H,21,24).
What are the key properties of 3-ethenyl-5-methyl-2-(2-methylpropanoyl)-N-(2-piperidin-1-ylethyl)cyclopentane-1-carboxamide?
3-ethenyl-5-methyl-2-(2-methylpropanoyl)-N-(2-piperidin-1-ylethyl)cyclopentane-1-carboxamide has a molecular weight of 334.50 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5-methyl-2-(2-methylpropanoyl)-N-(2-piperidin-1-ylethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 167106126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).